N-[(1S,2S)-2-[(4-fluorophenyl)methyl]cyclopentyl]-1,6-dimethyl-4-oxopyridine-3-carboxamide

C20H23FN2O2 — CID 118769991

IUPACN-[(1S,2S)-2-[(4-fluorophenyl)methyl]cyclopentyl]-1,6-dimethyl-4-oxopyridine-3-carboxamide
SMILESCc1cc(=O)c(C(=O)N[C@H]2CCC[C@H]2Cc2ccc(F)cc2)cn1C
InChIInChI=1S/C20H23FN2O2/c1-13-10-19(24)17(12-23(13)2)20(25)22-18-5-3-4-15(18)11-14-6-8-16(21)9-7-14/h6-10,12,15,18H,3-5,11H2,1-2H3,(H,22,25)/t15-,18-/m0/s1
InChIKeyQQPPTCFFGMCVFX-YJBOKZPZSA-N
MW342.41 g/mol
LogP2.97
Rot. Bonds4

About N-[(1S,2S)-2-[(4-fluorophenyl)methyl]cyclopentyl]-1,6-dimethyl-4-oxopyridine-3-carboxamide

N-[(1S,2S)-2-[(4-fluorophenyl)methyl]cyclopentyl]-1,6-dimethyl-4-oxopyridine-3-carboxamide (PubChem CID 118769991) has the molecular formula C20H23FN2O2 and a molecular weight of 342.41 g/mol. Its IUPAC name is N-[(1S,2S)-2-[(4-fluorophenyl)methyl]cyclopentyl]-1,6-dimethyl-4-oxopyridine-3-carboxamide.

Molecular Properties

Compound NameN-[(1S,2S)-2-[(4-fluorophenyl)methyl]cyclopentyl]-1,6-dimethyl-4-oxopyridine-3-carboxamide
PubChem CID118769991
Molecular FormulaC20H23FN2O2
Molecular Weight342.41 g/mol
Exact Mass342.17
IUPAC NameN-[(1S,2S)-2-[(4-fluorophenyl)methyl]cyclopentyl]-1,6-dimethyl-4-oxopyridine-3-carboxamide
SMILESCc1cc(=O)c(C(=O)N[C@H]2CCC[C@H]2Cc2ccc(F)cc2)cn1C
InChIInChI=1S/C20H23FN2O2/c1-13-10-19(24)17(12-23(13)2)20(25)22-18-5-3-4-15(18)11-14-6-8-16(21)9-7-14/h6-10,12,15,18H,3-5,11H2,1-2H3,(H,22,25)/t15-,18-/m0/s1
InChIKeyQQPPTCFFGMCVFX-YJBOKZPZSA-N
XLogP2.97
TPSA51.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.41
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(1S,2S)-2-[(4-fluorophenyl)methyl]cyclopentyl]-6-methyl-4-oxopyran-2-carboxamide
CID 90648014
4-chloro-N-[2-[(4-fluorophenyl)methyl]cyclopentyl]-1,3-dimethylpyrazole-5-carboxamide
CID 156607773
1-ethyl-N-[(1S,2S)-2-[(4-fluorophenyl)methyl]cyclopentyl]-2-oxopyridine-4-carboxamide
CID 118762484
2-amino-N-[(1S,2S)-2-[(4-fluorophenyl)methyl]cyclopentyl]-4-methyl-1,3-thiazole-5-carboxamide
CID 118773357
2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-N-[(1S,2S)-2-[(4-fluorophenyl)methyl]cyclopentyl]acetamide
CID 90653375
N-[(1S,2S)-2-[(4-fluorophenyl)methyl]cyclopentyl]-4-(tetrazol-1-yl)butanamide
CID 118765556
N-(1-cyclopentylpiperidin-4-yl)-1,6-dimethyl-4-oxopyridine-3-carboxamide
CID 118786010
N-[2-(chloromethyl)cyclopentyl]-2,5-difluorobenzamide
CID 106365784
N-(2-ethylcyclohexyl)-4-fluoro-2-hydroxybenzamide
CID 107015155
5-chloro-N-[2-(chloromethyl)cyclopentyl]-2-fluorobenzamide
CID 106366136
2-hydroxy-N-[2-(hydroxymethyl)cyclopentyl]-5-methylbenzamide
CID 103822598
5-bromo-N-[2-(bromomethyl)cyclopentyl]-2-methylbenzamide
CID 106366608

Frequently Asked Questions

What is the IUPAC name of N-[(1S,2S)-2-[(4-fluorophenyl)methyl]cyclopentyl]-1,6-dimethyl-4-oxopyridine-3-carboxamide?
The IUPAC name of N-[(1S,2S)-2-[(4-fluorophenyl)methyl]cyclopentyl]-1,6-dimethyl-4-oxopyridine-3-carboxamide (CID 118769991) is N-[(1S,2S)-2-[(4-fluorophenyl)methyl]cyclopentyl]-1,6-dimethyl-4-oxopyridine-3-carboxamide.
What is the SMILES notation for N-[(1S,2S)-2-[(4-fluorophenyl)methyl]cyclopentyl]-1,6-dimethyl-4-oxopyridine-3-carboxamide?
The canonical SMILES for N-[(1S,2S)-2-[(4-fluorophenyl)methyl]cyclopentyl]-1,6-dimethyl-4-oxopyridine-3-carboxamide is Cc1cc(=O)c(C(=O)N[C@H]2CCC[C@H]2Cc2ccc(F)cc2)cn1C.
What is the InChIKey of N-[(1S,2S)-2-[(4-fluorophenyl)methyl]cyclopentyl]-1,6-dimethyl-4-oxopyridine-3-carboxamide?
The InChIKey is QQPPTCFFGMCVFX-YJBOKZPZSA-N. The full InChI is InChI=1S/C20H23FN2O2/c1-13-10-19(24)17(12-23(13)2)20(25)22-18-5-3-4-15(18)11-14-6-8-16(21)9-7-14/h6-10,12,15,18H,3-5,11H2,1-2H3,(H,22,25)/t15-,18-/m0/s1.
What are the key properties of N-[(1S,2S)-2-[(4-fluorophenyl)methyl]cyclopentyl]-1,6-dimethyl-4-oxopyridine-3-carboxamide?
N-[(1S,2S)-2-[(4-fluorophenyl)methyl]cyclopentyl]-1,6-dimethyl-4-oxopyridine-3-carboxamide has a molecular weight of 342.41 g/mol, XLogP of 2.97, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S,2S)-2-[(4-fluorophenyl)methyl]cyclopentyl]-1,6-dimethyl-4-oxopyridine-3-carboxamide is sourced from PubChem (CID 118769991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).